SCHEMBL8380860

SCHEMBL8380860

CCCC1CCC(C2CCC(C(C)c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
SLC6A3 Q01959 11/20 0.39
SLC6A2 P23975 10/20 0.39
SLC6A4 P31645 10/20 0.39
TLR4 O00206 1/20 0.33
ADRB2 P07550 1/20 0.33
CRHR1 P34998 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8437397 0.87 TLR4 (0.34) FPR2PROKR1SLC6A3SLC6A2SLC6A4
SCHEMBL9620254 0.87 CCR5 (0.37) SLC6A3SLC6A2SLC6A4TLR4CRHR1
SCHEMBL8433543 0.85 MAPK1 (0.34) SLC6A3SLC6A2SLC6A4TLR4
SCHEMBL8433409 0.85 SLC6A3 (0.35) SLC6A3TLR4
SCHEMBL7913831 0.85 GAA (0.36) TLR4
SCHEMBL8437731 0.84 MAOB (0.38) SLC6A3SLC6A2SLC6A4TLR4
SCHEMBL9751893 0.84 CYP2C9 (0.49) TLR4
SCHEMBL8370943 0.83 PDE2A (0.37)
SCHEMBL8435370 0.82 SLC6A2 (0.34) SLC6A3SLC6A2SLC6A4TLR4
SCHEMBL9349806 0.82 SLC6A2 (0.34) SLC6A3SLC6A2SLC6A4TLR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed